2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine

C13H22N2S2 — CID 55092533

IUPAC2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
SMILESCc1csc(SCCNC2CCCCC2C)n1
InChIInChI=1S/C13H22N2S2/c1-10-5-3-4-6-12(10)14-7-8-16-13-15-11(2)9-17-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyWCDHMGVUDOTVOR-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine

2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine (PubChem CID 55092533) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
PubChem CID55092533
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine
SMILESCc1csc(SCCNC2CCCCC2C)n1
InChIInChI=1S/C13H22N2S2/c1-10-5-3-4-6-12(10)14-7-8-16-13-15-11(2)9-17-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyWCDHMGVUDOTVOR-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4876727
N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499814
N-(2-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 24981071
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 75383313
2-[2-[(4S)-4-methylpiperidin-2-yl]ethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 144410151
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64366302
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64366303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine (CID 55092533) is 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine is Cc1csc(SCCNC2CCCCC2C)n1.
What is the InChIKey of 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine?
The InChIKey is WCDHMGVUDOTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-10-5-3-4-6-12(10)14-7-8-16-13-15-11(2)9-17-13/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine?
2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine has a molecular weight of 270.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 55092533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).